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6K35
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BU of 6k35 by Molmil
Crystal structure of GH20 exo beta-N-acetylglucosaminidase from Vibrio harveyi in complex with NAG-thiazoline
Descriptor: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Beta-N-acetylglucosaminidase Nag2
Authors:Meekrathok, P, Stubbs, K.A, Bulmer, D.M, van den Berg, B, Suginta, W.
Deposit date:2019-05-16
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:NAG-thiazoline is a potent inhibitor of the Vibrio campbellii GH20 beta-N-Acetylglucosaminidase.
Febs J., 287, 2020
2MWQ
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BU of 2mwq by Molmil
Solution structure of PsbQ from spinacia oleracea
Descriptor: Oxygen-evolving enhancer protein 3, chloroplastic
Authors:Rathner, P, Mueller, N, Wimmer, R, Chandra, K.
Deposit date:2014-11-19
Release date:2015-07-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR and molecular dynamics reveal a persistent alpha helix within the dynamic region of PsbQ from photosystem II of higher plants.
Proteins, 83, 2015
6YEL
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BU of 6yel by Molmil
Stromal interaction molecule 1 coiled-coil 1 fragment
Descriptor: Stromal interaction molecule 1
Authors:Rathner, P, Cerofolini, L, Ravera, E, Bechmann, M, Grabmayr, H, Fahrner, M, Fragai, M, Romanin, C, Luchinat, C, Mueller, N.
Deposit date:2020-03-25
Release date:2020-09-02
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Interhelical interactions within the STIM1 CC1 domain modulate CRAC channel activation.
Nat.Chem.Biol., 17, 2021
6YTC
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BU of 6ytc by Molmil
Solution NMR structure of the isolated NTE domain of BT1762-63 levan transporter
Descriptor: TonB-dependent receptor
Authors:Rath, P, Mazur, A, Hiller, S.
Deposit date:2020-04-24
Release date:2020-07-08
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6EZT
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BU of 6ezt by Molmil
Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase D437A inactive mutant from Vibrio harveyi
Descriptor: Beta-N-acetylglucosaminidase Nag2, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL
Authors:Porfetye, A.T, Meekrathok, P, Burger, M, Vetter, I.R, Suginta, W.
Deposit date:2017-11-16
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi
To Be Published
6EZR
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BU of 6ezr by Molmil
Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi
Descriptor: Beta-N-acetylglucosaminidase Nag2
Authors:Porfetye, A.T, Meekrathok, P, Burger, M, Vetter, I.R, Suginta, W.
Deposit date:2017-11-16
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi
To Be Published
6EZS
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BU of 6ezs by Molmil
Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi in complex with N-acetylglucosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylglucosaminidase Nag2, MALONATE ION
Authors:Porfetye, A.T, Meekrathok, P, Burger, M, Vetter, I.R, Suginta, W.
Deposit date:2017-11-16
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi
To Be Published
2OQC
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BU of 2oqc by Molmil
Crystal Structure of Penicillin V acylase from Bacillus subtilis
Descriptor: Penicillin V acylase
Authors:Suresh, C.G, Rathinaswamy, P, Pundle, A.V, Prabhune, A.A, Sivaraman, H, Brannigan, J.A, Dodson, G.G.
Deposit date:2007-01-31
Release date:2008-01-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Penicillin V acylase from Bacillus subtilis
to be published
4B7W
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BU of 4b7w by Molmil
Ligand binding domain human hepatocyte nuclear factor 4alpha: Apo form
Descriptor: HEPATOCYTE NUCLEAR FACTOR 4-ALPHA
Authors:Dudasova, Z, Okvist, M, Kretova, M, Ondrovicova, G, Skrabana, R, LeGuevel, R, Salbert, G, Leonard, G, McSweeney, S, Barath, P.
Deposit date:2012-08-24
Release date:2013-09-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4 Å)
Cite:Fatty Acids are not Essential Structural Components of Hepatocyte Nuclear Factor 4Alpha
To be Published
2M5Y
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BU of 2m5y by Molmil
Solution Structure of the C-terminal domain of RV0431
Descriptor: Putative tuberculin related peptide
Authors:Huang, C, Wang, T, Li, H.
Deposit date:2013-03-13
Release date:2014-02-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Genetic regulation of vesiculogenesis and immunomodulation in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 110, 2013
5JUU
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BU of 5juu by Molmil
Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure V (least rotated 40S subunit)
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-05-10
Release date:2016-10-05
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
5JUT
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BU of 5jut by Molmil
Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure IV (almost non-rotated 40S subunit)
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-05-10
Release date:2016-10-05
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
5JUP
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BU of 5jup by Molmil
Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure II (mid-rotated 40S subunit)
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-05-10
Release date:2016-10-05
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
5JUS
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BU of 5jus by Molmil
Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure III (mid-rotated 40S subunit)
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-05-10
Release date:2016-10-05
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
5JUO
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BU of 5juo by Molmil
Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure I (fully rotated 40S subunit)
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-05-10
Release date:2016-10-05
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
7T3H
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BU of 7t3h by Molmil
MicroED structure of Dynobactin
Descriptor: TRP-ASN-SER-ASN-VAL-HIS-SER-TYR-ARG-PHE
Authors:Yoo, B.-K, Kaiser, J.T, Rees, D.C, Miller, R.D, Iinishi, A, Lewis, K, Bowman, S.
Deposit date:2021-12-07
Release date:2022-10-19
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Computational identification of a systemic antibiotic for gram-negative bacteria.
Nat Microbiol, 7, 2022
7R1V
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BU of 7r1v by Molmil
Crystal structure of E.coli BamA beta-barrel in complex with dynobactin A
Descriptor: Dynobactin A, Outer membrane protein assembly factor BamA
Authors:Jakob, R.P, Hiller, S, Maier, T.
Deposit date:2022-02-03
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Computational identification of a systemic antibiotic for gram-negative bacteria.
Nat Microbiol, 7, 2022
7R1W
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BU of 7r1w by Molmil
E. coli BAM complex (BamABCDE) bound to dynobactin A
Descriptor: Dynobactin A, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
Authors:Jakob, R.P, Hiller, S, Maier, T.
Deposit date:2022-02-03
Release date:2022-09-28
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Computational identification of a systemic antibiotic for gram-negative bacteria.
Nat Microbiol, 7, 2022
6Z9A
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BU of 6z9a by Molmil
Fructo-oligosaccharide transporter BT 1762-63
Descriptor: CHLORIDE ION, MAGNESIUM ION, SusC homolog, ...
Authors:van den Berg, B.
Deposit date:2020-06-03
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6ZAZ
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BU of 6zaz by Molmil
Fructo-oligosaccharide transporter BT 1762-63
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:van den Berg, B.
Deposit date:2020-06-06
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6Z8I
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BU of 6z8i by Molmil
Fructo-oligosaccharide transporter BT 1762-63
Descriptor: MAGNESIUM ION, PHOSPHATE ION, SusC homolog, ...
Authors:van den Berg, B.
Deposit date:2020-06-02
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6ZLU
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BU of 6zlu by Molmil
Closed-closed state of the Bt1762-Bt1763 levan transport system
Descriptor: SusC homolog, SusD homolog
Authors:White, J.B.R, van den Berg, B, Ranson, N.A.
Deposit date:2020-07-01
Release date:2020-11-11
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6ZM1
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BU of 6zm1 by Molmil
Open-closed state of the Bt1762-Bt1763 levan transport system
Descriptor: SusC homolog, SusD homolog
Authors:White, J.B.R, van den Berg, B, Ranson, N.A.
Deposit date:2020-07-01
Release date:2020-11-11
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6ZLT
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BU of 6zlt by Molmil
Open-open state of the Bt1762-Bt1763 levan transport system
Descriptor: SusC homolog, SusD homolog
Authors:White, J.B.R, van den Berg, B, Ranson, N.A.
Deposit date:2020-07-01
Release date:2020-11-11
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
3M6F
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BU of 3m6f by Molmil
CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID
Descriptor: 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION
Authors:Sheriff, S.
Deposit date:2010-03-15
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).
J.Med.Chem., 53, 2010

 

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